Systems in Chemistry

Kellman M E 1997 Nonrigid systems in chemistry a unified view Int. J. Quantum Chem. 65 399... 

To appreciate the architecture and tasks of expert systems and examples of expert systems in chemistry... 

In chemistry and chemical engineering, expert systems are used for various tasks ranging from laboratory automation or reaction kinetics to the design of syntheses or the simulations of processes [24]. The application of expert systems in chemistry is described in more detail in Chapter IX, Section 2 of the Handbook,... 

Representational Systems in Chemistry — Terms Used in the Chemical Education Literature... 

Hunt, P. A. Optical Data-Storage Systems. In Chemistry and Technology of Printing and Imaging Systems Gregory, P., Ed. Blackie London, 1996. 

A. Hemdndez-Laguna et al. (eds.), Quantum Systems in Chemistry and Physics, Vol. 1 Basic Problems and Model Systems, 3-16. 

T. Thorsteinsson, D.L. Cooper, J. Gerratt and M. Raimondi A New Approach to Valence Bond Calculations CASVB, in R. McWeeny, J. Mamani, Y.G. Smeyers and S. Wilson (Eds.), Quantum Systems in Chemistry and Physics Trends in Methods and Applications, Kluwer Academic Publishers, Dordrecht (1997). 

These two volumes collect forty-four selected papers from the scientific contributions presented at the Third European Workshop on Quantum Systems in Chemistry and Physics, held in Granada (Spain), April 19-22, 1998. Ninety-nine scientists from Bulgaria, Columbia, Cuba, Denmark, Finland, France, Germany, Hungary, Israel, Italy, Mexico, Netherlands, Norway, Poland, Russia, Slovakia, Spain, Sweden, United Kingdom, Uruguay and Venezuela attended the workshop, discussing the state of the art, new trends, and future evolution of the methods and applications. 

Quantum Systems in Chemistry and Physics is a broad area of science in which scientists of different extractions and aims jointly place special emphasis on quantum theory. Several topics were presented in the sessions of the symposia, namely 1 Density matrices and density functionals 2 Electron correlation effects (many-body methods and configuration interactions) 3 Relativistic formulations 4 Valence theory (chemical bonds and bond breaking) 5 Nuclear motion (vibronic effects and flexible molecules) 6 Response theory (properties and spectra atoms and molecules in strong electric and magnetic fields) 7 Condensed matter (crystals, clusters, surfaces and interfaces) 8 Reactive collisions and chemical reactions, and 9 Computational chemistry and physics. 

---